A3 Book section, Chapters in research books
Constant potential rate theory – general formulation and electrocatalysis (2022)


Melander, M. M. (2022). Constant potential rate theory – general formulation and electrocatalysis. In M. M. Melander, T. T. Laurila, & K. Laasonen (Eds.), Atomic‐Scale Modelling of Electrochemical Systems (pp. 287-300). John Wiley & Sons. https://doi.org/10.1002/9781119605652.ch9


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Publication details

All authors or editors: Melander, Marko M.

Parent publication: Atomic‐Scale Modelling of Electrochemical Systems

Parent publication editors: Melander, Marko M.; Laurila, Tomi T.; Laasonen, Kari

ISBN: 978-1-119-60561-4

eISBN: 978-1-119-60565-2

Publication year: 2022

Pages range: 287-300

Number of pages in the book: 368

Publisher: John Wiley & Sons

Place of Publication: Hoboken, NJ

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1002/9781119605652.ch9

Publication open access: Not open

Publication channel open access:


Abstract

Much of atomistic electrochemistry has focused on understanding and predicting thermodynamics at electrochemical interfaces. However, reaction kinetics are paramount for obtaining a complete picture of electrochemistry and electrocatalysis. In this chapter, a generally valid fixed potential rate theory is presented. It is also shown how this theoretical approach can be used for studying proton-coupled electron transfer, proton transfer, and electron transfer kinetics using atomic scale simulations.


Keywords: electrochemistry; thermodynamics; electrocatalysis


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Preliminary JUFO rating: 2


Last updated on 2021-25-11 at 15:36